2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione

C32H42N4O4 — CID 46192998

About 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione

2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione (PubChem CID 46192998) has the molecular formula C32H42N4O4 and a molecular weight of 546.71 g/mol. Its IUPAC name is 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
• PubChem CID: 46192998
• Molecular Formula: C32H42N4O4
• Molecular Weight: 546.71 g/mol
• Exact Mass: 546.32
• IUPAC Name: 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
• SMILES: O=C1c2ccccc2C(=O)N1CCCNCCCCCCCCCCNCCCN1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C32H42N4O4/c37-29-25-15-7-8-16-26(25)30(38)35(29)23-13-21-33-19-11-5-3-1-2-4-6-12-20-34-22-14-24-36-31(39)27-17-9-10-18-28(27)32(36)40/h7-10,15-18,33-34H,1-6,11-14,19-24H2
• InChIKey: UHQQAFHOVKQVSK-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.71
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione?

The IUPAC name of 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione (CID 46192998) is 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione?

The canonical SMILES for 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCNCCCCCCCCCCNCCCN1C(=O)c2ccccc2C1=O.

What is the InChIKey of 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione?

The InChIKey is UHQQAFHOVKQVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O4/c37-29-25-15-7-8-16-26(25)30(38)35(29)23-13-21-33-19-11-5-3-1-2-4-6-12-20-34-22-14-24-36-31(39)27-17-9-10-18-28(27)32(36)40/h7-10,15-18,33-34H,1-6,11-14,19-24H2.

What are the key properties of 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione?

2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione has a molecular weight of 546.71 g/mol, XLogP of 4.66, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione is sourced from PubChem (CID 46192998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).